[(1R,2S,5S)-5-acetyloxy-3-oxidanylidene-2-(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,5S)-5-acetyloxy-3-oxidanylidene-2-(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [(1R,2S,5S)-5-acetoxy-2-benzoyloxy-3-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,5S)-5-acetyloxy-2-benzoyloxy-3-oxocyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-acetyloxy-2-benzoyloxy-3-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,5S)-5-acetoxy-2-benzoyloxy-3-keto-cyclohexyl] ester Formula: C22H20O7 MolecularWeight: 396.39

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(C(=O)C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1C[C@H]([C@@H](C(=O)C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20O7/c1-14(23)27-17-12-18(24)20(29-22(26)16-10-6-3-7-11-16)19(13-17)28-21(25)15-8-4-2-5-9-15/h2-11,17,19-20H,12-13H2,1H3/t17-,19-,20-/m1/s1